magnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide

C79H72BBr4Cl3MgN4O11 — CID 158556646

IUPACmagnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide
SMILESBrB(Br)Br.C1CCOC1.CC(=O)c1ccc(C(=O)Cl)cc1.COc1ccc(C(=O)c2c[nH]c3ccccc23)cc1.COc1ccc(C(=O)c2cn(C(=O)c3ccc(OC)cc3)c3ccccc23)cc1.ClCCl.O=C(c1ccc(O)cc1)c1c[nH]c2ccccc12.[Br-].[CH2-]C.[Mg+2].c1ccc2[nH]ccc2c1
InChIInChI=1S/C24H19NO4.C16H13NO2.C15H11NO2.C9H7ClO2.C8H7N.C4H8O.C2H5.CH2Cl2.BBr3.BrH.Mg/c1-28-18-11-7-16(8-12-18)23(26)21-15-25(22-6-4-3-5-20(21)22)24(27)17-9-13-19(29-2)14-10-17;1-19-12-8-6-11(7-9-12)16(18)14-10-17-15-5-3-2-4-13(14)15;17-11-7-5-10(6-8-11)15(18)13-9-16-14-4-2-1-3-12(13)14;1-6(11)7-2-4-8(5-3-7)9(10)12;1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1;1-2;2-1-3;2-1(3)4;;/h3-15H,1-2H3;2-10,17H,1H3;1-9,16-17H;2-5H,1H3;1-6,9H;1-4H2;1H2,2H3;1H2;;1H;/q;;;;;;-1;;;;+2/p-1
InChIKeyPHIAOQGBGWTDKL-UHFFFAOYSA-M
MW1714.55 g/mol
LogP17.36
Rot. Bonds12

About magnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide

magnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide (PubChem CID 158556646) has the molecular formula C79H72BBr4Cl3MgN4O11 and a molecular weight of 1714.55 g/mol. Its IUPAC name is magnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide.

Molecular Properties

Compound Namemagnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide
PubChem CID158556646
Molecular FormulaC79H72BBr4Cl3MgN4O11
Molecular Weight1714.55 g/mol
Exact Mass1708.09
IUPAC Namemagnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide
SMILESBrB(Br)Br.C1CCOC1.CC(=O)c1ccc(C(=O)Cl)cc1.COc1ccc(C(=O)c2c[nH]c3ccccc23)cc1.COc1ccc(C(=O)c2cn(C(=O)c3ccc(OC)cc3)c3ccccc23)cc1.ClCCl.O=C(c1ccc(O)cc1)c1c[nH]c2ccccc12.[Br-].[CH2-]C.[Mg+2].c1ccc2[nH]ccc2c1
InChIInChI=1S/C24H19NO4.C16H13NO2.C15H11NO2.C9H7ClO2.C8H7N.C4H8O.C2H5.CH2Cl2.BBr3.BrH.Mg/c1-28-18-11-7-16(8-12-18)23(26)21-15-25(22-6-4-3-5-20(21)22)24(27)17-9-13-19(29-2)14-10-17;1-19-12-8-6-11(7-9-12)16(18)14-10-17-15-5-3-2-4-13(14)15;17-11-7-5-10(6-8-11)15(18)13-9-16-14-4-2-1-3-12(13)14;1-6(11)7-2-4-8(5-3-7)9(10)12;1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1;1-2;2-1-3;2-1(3)4;;/h3-15H,1-2H3;2-10,17H,1H3;1-9,16-17H;2-5H,1H3;1-6,9H;1-4H2;1H2,2H3;1H2;;1H;/q;;;;;;-1;;;;+2/p-1
InChIKeyPHIAOQGBGWTDKL-UHFFFAOYSA-M
XLogP17.36
TPSA211.87 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001714.55
LogP ≤ 517.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze magnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide?
The IUPAC name of magnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide (CID 158556646) is magnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide.
What is the SMILES notation for magnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide?
The canonical SMILES for magnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide is BrB(Br)Br.C1CCOC1.CC(=O)c1ccc(C(=O)Cl)cc1.COc1ccc(C(=O)c2c[nH]c3ccccc23)cc1.COc1ccc(C(=O)c2cn(C(=O)c3ccc(OC)cc3)c3ccccc23)cc1.ClCCl.O=C(c1ccc(O)cc1)c1c[nH]c2ccccc12.[Br-].[CH2-]C.[Mg+2].c1ccc2[nH]ccc2c1.
What is the InChIKey of magnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide?
The InChIKey is PHIAOQGBGWTDKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H19NO4.C16H13NO2.C15H11NO2.C9H7ClO2.C8H7N.C4H8O.C2H5.CH2Cl2.BBr3.BrH.Mg/c1-28-18-11-7-16(8-12-18)23(26)21-15-25(22-6-4-3-5-20(21)22)24(27)17-9-13-19(29-2)14-10-17;1-19-12-8-6-11(7-9-12)16(18)14-10-17-15-5-3-2-4-13(14)15;17-11-7-5-10(6-8-11)15(18)13-9-16-14-4-2-1-3-12(13)14;1-6(11)7-2-4-8(5-3-7)9(10)12;1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1;1-2;2-1-3;2-1(3)4;;/h3-15H,1-2H3;2-10,17H,1H3;1-9,16-17H;2-5H,1H3;1-6,9H;1-4H2;1H2,2H3;1H2;;1H;/q;;;;;;-1;;;;+2/p-1.
What are the key properties of magnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide?
magnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide has a molecular weight of 1714.55 g/mol, XLogP of 17.36, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-acetylbenzoyl chloride;dichloromethane;ethane;(4-hydroxyphenyl)-(1H-indol-3-yl)methanone;1H-indole;1H-indol-3-yl-(4-methoxyphenyl)methanone;[1-(4-methoxybenzoyl)indol-3-yl]-(4-methoxyphenyl)methanone;oxolane;tribromoborane;bromide is sourced from PubChem (CID 158556646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).